1-[(E)-4-(furan-2-yl)-4-thiophen-2-yl-but-3-enyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(E)-4-(furan-2-yl)-4-thiophen-2-yl-but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-4-(2-furyl)-4-(2-thienyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-4-(2-furanyl)-4-thiophen-2-ylbut-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-4-(furan-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-4-(2-furyl)-4-(2-thienyl)but-3-enyl]nipecotic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC=C(C2=CC=CO2)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC/C=C(\C2=CC=CO2)/C3=CC=CS3)C(=O)O

InChI

InChI=1S/C18H21NO3S/c20-18(21)14-5-1-9-19(13-14)10-2-6-15(16-7-3-11-22-16)17-8-4-12-23-17/h3-4,6-8,11-12,14H,1-2,5,9-10,13H2,(H,20,21)/b15-6+